기본 정보
- CAS
92-36-4- 표준 SMILES
Cc1ccc2nc(-c3ccc(N)cc3)sc2c1- InChIKey
XRTJYEIMLZALBD-UHFFFAOYSA-N- 분자식
- C14H12N2S
- 평균 분자량
- 240.33 g/mol
- 단동위원소 질량
- 240.07211956
개요
2-(4-aminophenyl)-6-methylbenzothiazole appears as light tan or light orange powder. Solutions have a violet-blue fluorescence. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-(4-Aminophenyl)-6-methylbenzothiazole
- IUPAC
- 4-(6-methyl-1,3-benzothiazol-2-yl)aniline
- 현지명
- 4- (6- 메틸벤조티아졸 -2- 일) 아닐린
- 영어명
- 4-(6-Methyl-2-benzothiazolyl)benzeneamine
- 분자식
- C14H12N2S
- 분자량
- 240.32
이름 및 동의어
92-36-42-(4-Aminophenyl)-6-methylbenzothiazoleDehydrothio-p-toluidineDHPT2-(p-Aminophenyl)-6-methylbenzothiazole4-(6-Methyl-2-benzothiazolyl)anilineDehydrothio-4-toluidineBenzothiazole, 2-(p-aminophenyl)-6-methyl-4-(6-Methyl-2-benzothiazolyl)benzenaminep-(6-Methylbenzothiazol-2-yl)aniline69UN466K3ZNSC-15370
이름 더 보기
4-(6-메틸벤조티아졸-2-일)아닐린4-(6-메틸-2-벤조티아졸릴)벤젠아민BenzDTPT4-anilineAKOS B019823AKOS BBB/024AKOS MSC-07274-(6-methyl-1ASISCHEM B52421
NSC-57678DTXSID50245022-[4-Aminophenyl]-6-methylbenzothiazoleRefChem:585664DTXCID204502202-150-44-(6-methyl-1,3-benzothiazol-2-yl)anilineBenzenamine, 4-(6-methyl-2-benzothiazolyl)-
데이터베이스 식별자
- CAS
92-36-4
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 263
실험 및 물리화학적 성질
Solubility
less than 1 mg/mL at 68 °F (NTP, 1992)
1.1 [ug/mL] (The mean of the results at pH 7.4)
Boiling Point813 °F at 760 mmHg (NTP, 1992)
Melting Point376 to 385 °F (NTP, 1992)
Physical Description2-(4-aminophenyl)-6-methylbenzothiazole appears as light tan or light orange powder. Solutions have a violet-blue fluorescence. (NTP, 1992)
Collision Cross Section153.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5024502]
물리화학적 성질
- 녹는점
- 191 · 191-196°C
- 끓는 점
- 434 °C · 434°C
- 밀도
- 1.1769 · 1.1769 (rough estimate)
- 굴절률
- 1.57 · 1.5700 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 24 mg/mL · ≥ 24mg/mL in DMSO
- 물리적 상태
- 플레이크
- 산도 계수 (pKa)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: 4-(6-methylbenzothiazol-2-yl)aniline (EC: 202-150-4)
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation of the eyes, skin, mucous membranes and upper respiratory tract.
Reactive GroupSulfides, Organic
Reactivity Profile2-(4-AMINOPHENYL)-6-METHYLBENZOTHIAZOLE is incompatible with strong oxidizing agents, acid chlorides and acid anhydrides. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (95.8%)
안전 및 보호
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenamine, 4-(6-methyl-2-benzothiazolyl)-: ACTIVE
응용 분야
일반 설명Light tan or light orange powder. Solutions have a violet-blue fluorescence.
상·하류 제품 정보
하류 제품
관련 반응
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